Y504-8681 Screening compound: ethyl 1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-3-piperidinecarboxylate

Y504-8681 Screening compound: ethyl 1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-3-piperidinecarboxylate
Y504-8681 Screening compound: ethyl 1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-3-piperidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y504-8681
ethyl 1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-3-piperidinecarboxylate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

Y504-8681

Molecular Formula

C14H18F3N3O2 (C14 H18 F3 N3 O2)

Compound Name

ethyl 1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-3-piperidinecarboxylate

IUPAC name

n/a

SMILES

CCOC(C(CCC1)CN1c1nc(C)cc(C(F)(F)F)n1)=O

InChI

InChI=1S/C14H18F3N3O2/c1-3-22-12(21)10-5-4-6-20(8-10)13-18-9(2)7-11(19-13)14(15,16)17/h7,10H,3-6,8H2,1-2H3/t10-/m0/s1

InChI Key

ULOYIHLOMFOXMC-JTQLQIEISA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.130

Distribution Coefficient, logD

3.130

Water Solubility, LogSw

-2.91

Polar Surface Area

41.683

Acid Dissociation Constant (pKa)

20.27

Base Dissociation Constant (pKb)

2.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

64.30

References: we are preparing a list of scientific research reports with Y504-8681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y504-8681?
Check Price and Availability of Y504-8681, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y504-8681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y504-8681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y504-8681
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of Y504-8681 available by request